4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-
PubChem CID: 1889
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| Compound Synonyms | DL-Liquiritigenin, 69097-97-8, (+/-)-Liquiritigenin, 41680-09-5, 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)-, 7-hydroxy-2-(4-hydroxyphenyl)chroman-4-one, ( inverted exclamation markA)-Liquiritigenin, 7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one, CHEMBL271939, (+/-)-4',7-Dihydroxyflavanone, , 7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-1-benzopyran-4-one, ()-Dihydrodaidzein, Liquiritin rhamnoside, MFCD00287289, (R/S)-Liquiritigenin, 7,4''-dihydroxyflavanone, 4'',7-Dihydroxyflavanone, cid_1889, Oprea1_134668, MLS000697612, SCHEMBL1071066, HY-N0377A, DTXSID90274339, DTXSID90961898, CHEBI:136678, FURUXTVZLHCCNA-UHFFFAOYSA-N, HMS2268K07, HMS3604C10, UCA09797, BDBM50228333, AKOS024462907, CCG-103352, NCGC00247525-01, NCGC00247525-03, SMR000470946, SY076300, CS-0145110, NS00097409, 7-Hydroxy-2-(4''-hydroxyphenyl)chroman-4-one, G85637, AE-848/32605044, B0005-464393, 7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one, 7-Hydroxy-2-(4-hydroxyphenyl)-2,3-dihydro-4H-chromen-4-one #, 7-hydroxy-2-(4-hydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one |
|---|---|
| Topological Polar Surface Area | 66.8 |
| Hydrogen Bond Donor Count | 2.0 |
| Heavy Atom Count | 19.0 |
| Description | Isolated from Glycyrrhiza, Medicago, Myroxylon, Cicer and all Leguminosae subspecies Several glycosides, particularly the rutinoside and neohesperidoside, are important in influencing citrus fruit flavour [DFC]. Liquiritigenin is found in many foods, some of which are sorrel, roselle, pepper (c. annuum), and black crowberry. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 335.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 7-hydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one |
| Prediction Hob | 1.0 |
| Class | Flavonoids |
| Xlogp | 2.2 |
| Superclass | Phenylpropanoids and polyketides |
| Subclass | Flavans |
| Molecular Formula | C15H12O4 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FURUXTVZLHCCNA-UHFFFAOYSA-N |
| Fcsp3 | 0.1333333333333333 |
| Logs | -3.892 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.504 |
| Synonyms | (2S)-Liquiritigenin, (S)-4',7-Dihydroxyflavanone, 2S,3-Dihydro-7-hydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one, 4',7-Dihydroxyflavanone, 5-DEOXYFLAVANONE, DFV, Liquiritigenin, Liquiritigenin rhamnosylglucoside, Liquiritin rhamnoside, Rhamnoliquiritin |
| Substituent Name | Hydroxyflavonoid, Flavanone, 7-hydroxyflavonoid, 4'-hydroxyflavonoid, Chromone, 1-benzopyran, Benzopyran, Chromane, Aryl alkyl ketone, Aryl ketone, Phenol, Alkyl aryl ether, Benzenoid, Monocyclic benzene moiety, Ketone, Oxacycle, Organoheterocyclic compound, Ether, Hydrocarbon derivative, Organooxygen compound, Carbonyl group, Aromatic heteropolycyclic compound |
| Compound Name | 4H-1-Benzopyran-4-one, 2,3-dihydro-7-hydroxy-2-(4-hydroxyphenyl)- |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 256.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 256.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 256.25 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.2791618210526314 |
| Inchi | InChI=1S/C15H12O4/c16-10-3-1-9(2-4-10)14-8-13(18)12-6-5-11(17)7-15(12)19-14/h1-7,14,16-17H,8H2 |
| Smiles | C1C(OC2=C(C1=O)C=CC(=C2)O)C3=CC=C(C=C3)O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cicer Arietinum (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Dalbergia Odorifera (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Epimedium Koreanum (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Glabra (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Inflata (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 6. Outgoing r'ship
FOUND_INto/from Glycyrrhiza Uralensis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 7. Outgoing r'ship
FOUND_INto/from Medicago Sativa (Plant) Rel Props:Source_db:fooddb_chem_all - 8. Outgoing r'ship
FOUND_INto/from Pisum Sativum (Plant) Rel Props:Source_db:fooddb_chem_all - 9. Outgoing r'ship
FOUND_INto/from Robinia Pseudoacacia (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 10. Outgoing r'ship
FOUND_INto/from Sophora Flavescens (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 11. Outgoing r'ship
FOUND_INto/from Spatholobus Suberectus (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all